基本情報
- CAS
760-21-4- 標準SMILES
C=C(CC)CC- InChIKey
RYKZRKKEYSRDNF-UHFFFAOYSA-N- 分子式
- C6H12
- 平均分子量
- 84.16 g/mol
- 単同位体質量
- 84.09390038
名称と識別子
- 優先名称
- 2-Ethyl-1-butene
- IUPAC
- 3-methylidenepentane
- 現地名
- 2-エチル-1-ブテン
- 英語名
- 2-ETHYL-1-BUTENE
- 分子式
- C6H12
- 分子量
- 84.16
名称と別名
2-ETHYL-1-BUTENE760-21-43-Methylenepentane3-methylidenepentanePentane, 3-methylene-2-Ethylbut-1-ene1-Butene, 2-ethyl-1,1-Diethylethene1,1-diethylethyleneMFCD00009341O5MH5V756ENSC-74120
名称をさらに表示
2-エチル-1-ブテン2-エチル-1-ブテン, 97%ETHYLBUTENE(C2H5)2C=CH22-Butyl-1-butene2-ethyl-but-1-ene3-methylene-pentan
UNII-O5MH5V756ENSC74120EINECS 212-078-5NSC 74120SCHEMBL196972-Ethyl-1-butene, 95%SCHEMBL120095SCHEMBL139642
データベース識別子
- CAS
760-21-4- PubChem CID
- 12970
- DTXSID
DTXSID0061080- UNII
- O5MH5V756E
- EC Number
- 212-078-5
- Nikkaji
- J42.733K
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 2
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 38
実験および物理化学的性質
Chemical Classes
Other Classes -> Aliphatics, Unsaturated
Flammable agents - 3rd degree
SpringerMaterials PropertiesBoiling point
Vapor Pressure175.0 [mmHg]
Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- 131.5 · −131.5-−131 °C(lit.)
- 沸点
- 64 · 64-65 °C(lit.)
- 比重(密度)
- 0.689 g/mL · 0.689 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.396(lit.)
- 闪点
- 15 °F · −15 °F
- 貯蔵温度
- 2 · 2-8°C
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- 水溶解度
- アルコール、メタノールに可溶。水に不溶。
- BRN
- 1697102 · 1697102
- Henry's Law Constant
- 2.7 · 2.7×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P272, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 92 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Pentane, 3-methylene-
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazards Summary
May cause irritation and skin sensitization; [Sigma-Aldrich MSDS] Search for (760-21-4[EC/RN Number]) AND (sensitizer OR sensitization OR dermatitis OR allergic): no results; [PubMed] See 3,3-Dimethyl-1-butene, 2,3-Dimethyl-1-butene, 3-Methyl-1-butene, 2-Methyl-1-butene, and Butene, all isomers.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable agents - 3rd degree
毒性情報
Adverse EffectsNeurotoxin - Acute solvent syndrome
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
化学と産業
用途と製造
General Manufacturing InformationPentane, 3-methylene-: ACTIVE
応用分野
使用2-Ethyl-1-butene is used as an intermediate in organic synthesis and pharmaceuticals.
調製方法
純化方法Wash it with 10N aqueous NaOH, then water. Dry the organic layer with CaCl2, filter and fractionally distil it. [Beilstein 1 IV 850.]
上流・下流製品情報
上流原料
下流製品
関連反応
2 件
化合物ノート
読み込み中…